(10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

C138H170O39 — CID 159664866

About (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

(10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone (PubChem CID 159664866) has the molecular formula C138H170O39 and a molecular weight of 2452.84 g/mol. Its IUPAC name is (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone.

Molecular Properties

• Compound Name: (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
• PubChem CID: 159664866
• Molecular Formula: C138H170O39
• Molecular Weight: 2452.84 g/mol
• Exact Mass: 2451.13
• IUPAC Name: (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
• SMILES: C=C1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3CC=CC(=O)C31C)C(=O)OC24C.C=C1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3CC=C3CC=CC(=O)C31C)C(=O)OC24C.CC.CC12C(=O)C=CCC1=CCC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4.CC1CCCC2CC3C4CCC5CCCCC5(C)C4CCC3(C)C12.COC12OC34C(C1=O)C1(C)CC(=O)OC(C1)C3(C)OC(=O)C4(O)CCC1C2CC(O)C2(O)CC=CC(=O)C12C
• InChI: InChI=1S/C28H34O11.C28H30O10.2C28H30O9.C24H40.C2H6/c1-22-11-17(37-18(31)12-22)24(3)28-19(22)20(32)27(36-4,39-28)14-10-16(30)25(34)8-5-6-15(29)23(25,2)13(14)7-9-26(28,35)21(33)38-24;1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27;1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25;1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27;1-16-7-6-8-17-15-21-19-11-10-18-9-4-5-13-23(18,2)20(19)12-14-24(21,3)22(16)17;1-2/h5-6,13-14,16-17,19,30,34-35H,7-12H2,1-4H3;5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3;4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3;5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3;16-22H,4-15H2,1-3H3;1-2H3
• InChIKey: MTGTXJCHERMWOI-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 584.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 1
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2452.84
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone?

The IUPAC name of (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone (CID 159664866) is (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone.

What is the SMILES notation for (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone?

The canonical SMILES for (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone is C=C1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3CC=CC(=O)C31C)C(=O)OC24C.C=C1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3CC=C3CC=CC(=O)C31C)C(=O)OC24C.CC.CC12C(=O)C=CCC1=CCC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4.CC1CCCC2CC3C4CCC5CCCCC5(C)C4CCC3(C)C12.COC12OC34C(C1=O)C1(C)CC(=O)OC(C1)C3(C)OC(=O)C4(O)CCC1C2CC(O)C2(O)CC=CC(=O)C12C.

What is the InChIKey of (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone?

The InChIKey is MTGTXJCHERMWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O11.C28H30O10.2C28H30O9.C24H40.C2H6/c1-22-11-17(37-18(31)12-22)24(3)28-19(22)20(32)27(36-4,39-28)14-10-16(30)25(34)8-5-6-15(29)23(25,2)13(14)7-9-26(28,35)21(33)38-24;1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27;1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25;1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27;1-16-7-6-8-17-15-21-19-11-10-18-9-4-5-13-23(18,2)20(19)12-14-24(21,3)22(16)17;1-2/h5-6,13-14,16-17,19,30,34-35H,7-12H2,1-4H3;5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3;4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3;5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3;16-22H,4-15H2,1-3H3;1-2H3.

What are the key properties of (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone?

(10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone has a molecular weight of 2452.84 g/mol, XLogP of 11.67, 1 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene;(1S,3R,5R,14R,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone;ethane;(1R,2S,5S,8S,9R,17R,18R,21S,24R,26R,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone;(1R,3R,5R,9R,14R,18R,21S,22R)-8,9,18-trihydroxy-5-methoxy-1,14,21-trimethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacos-11-ene-13,19,24,27-tetrone;(1S,3R,5S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone is sourced from PubChem (CID 159664866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).