(4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid

C195H277N11O15 — CID 157484707

About (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid

(4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid (PubChem CID 157484707) has the molecular formula C195H277N11O15 and a molecular weight of 3015.42 g/mol. Its IUPAC name is (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid.

Molecular Properties

• Compound Name: (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
• PubChem CID: 157484707
• Molecular Formula: C195H277N11O15
• Molecular Weight: 3015.42 g/mol
• Exact Mass: 3013.13
• IUPAC Name: (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
• SMILES: CC1(C)CC[C@]2(C(=O)CN)CC[C@]3(C)C(=CCC4[C@@]5(C)Cc6c(NC(=O)OCc7ccccc7)n[nH]c6C(C)(C)C5CC[C@]43C)C2C1.CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C2C1.CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)Cc6c(N)n[nH]c6C(C)(C)C5CC[C@]43C)C2C1.CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)Cc6c(NC(=O)OCc7ccccc7)n[nH]c6C(C)(C)C5CC[C@]43C)C2C1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.[C-]#[N+]C1C[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C(C)(C)C1=O
• InChI: InChI=1S/C40H56N4O3.C39H53N3O4.C31H47N3O2.C31H45NO3.C30H46O3.3C8H10/c1-35(2)17-19-40(31(45)23-41)20-18-38(6)27(28(40)22-35)13-14-30-37(5)21-26-32(36(3,4)29(37)15-16-39(30,38)7)43-44-33(26)42-34(46)47-24-25-11-9-8-10-12-25;1-34(2)17-19-39(32(43)44)20-18-37(6)26(27(39)22-34)13-14-29-36(5)21-25-30(35(3,4)28(36)15-16-38(29,37)7)41-42-31(25)40-33(45)46-23-24-11-9-8-10-12-24;1-26(2)12-14-31(25(35)36)15-13-29(6)19(20(31)17-26)8-9-22-28(5)16-18-23(33-34-24(18)32)27(3,4)21(28)10-11-30(22,29)7;1-26(2)13-15-31(25(34)35)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32-8)24(33)27(3,4)22(28)11-12-30(23,29)7;1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7;3*1-2-8-6-4-3-5-7-8/h8-13,28-30H,14-24,41H2,1-7H3,(H2,42,43,44,46);8-13,27-29H,14-23H2,1-7H3,(H,43,44)(H2,40,41,42,45);8,20-22H,9-17H2,1-7H3,(H,35,36)(H3,32,33,34);9,20-23H,10-18H2,1-7H3,(H,34,35);8,20-22H,9-18H2,1-7H3,(H,32,33);3*3-7H,2H2,1H3/t28?,29?,30?,37-,38+,39+,40-;27?,28?,29?,36-,37+,38+,39-;20?,21?,22?,28-,29+,30+,31-;20?,21?,22?,23?,28-,29+,30+,31-;20?,21?,22?,27-,28+,29+,30-;;;/m00000.../s1
• InChIKey: BWOMWLHKFSKOKC-UIUYEPSSSA-N
• XLogP: 45.98
• TPSA: 419.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3015.42
LogP ≤ 5	45.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid?

The IUPAC name of (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid (CID 157484707) is (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid.

What is the SMILES notation for (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid?

The canonical SMILES for (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid is CC1(C)CC[C@]2(C(=O)CN)CC[C@]3(C)C(=CCC4[C@@]5(C)Cc6c(NC(=O)OCc7ccccc7)n[nH]c6C(C)(C)C5CC[C@]43C)C2C1.CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C2C1.CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)Cc6c(N)n[nH]c6C(C)(C)C5CC[C@]43C)C2C1.CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)Cc6c(NC(=O)OCc7ccccc7)n[nH]c6C(C)(C)C5CC[C@]43C)C2C1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.[C-]#[N+]C1C[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C(C)(C)C1=O.

What is the InChIKey of (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid?

The InChIKey is BWOMWLHKFSKOKC-UIUYEPSSSA-N. The full InChI is InChI=1S/C40H56N4O3.C39H53N3O4.C31H47N3O2.C31H45NO3.C30H46O3.3C8H10/c1-35(2)17-19-40(31(45)23-41)20-18-38(6)27(28(40)22-35)13-14-30-37(5)21-26-32(36(3,4)29(37)15-16-39(30,38)7)43-44-33(26)42-34(46)47-24-25-11-9-8-10-12-25;1-34(2)17-19-39(32(43)44)20-18-37(6)26(27(39)22-34)13-14-29-36(5)21-25-30(35(3,4)28(36)15-16-38(29,37)7)41-42-31(25)40-33(45)46-23-24-11-9-8-10-12-24;1-26(2)12-14-31(25(35)36)15-13-29(6)19(20(31)17-26)8-9-22-28(5)16-18-23(33-34-24(18)32)27(3,4)21(28)10-11-30(22,29)7;1-26(2)13-15-31(25(34)35)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32-8)24(33)27(3,4)22(28)11-12-30(23,29)7;1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7;3*1-2-8-6-4-3-5-7-8/h8-13,28-30H,14-24,41H2,1-7H3,(H2,42,43,44,46);8-13,27-29H,14-23H2,1-7H3,(H,43,44)(H2,40,41,42,45);8,20-22H,9-17H2,1-7H3,(H,35,36)(H3,32,33,34);9,20-23H,10-18H2,1-7H3,(H,34,35);8,20-22H,9-18H2,1-7H3,(H,32,33);3*3-7H,2H2,1H3/t28?,29?,30?,37-,38+,39+,40-;27?,28?,29?,36-,37+,38+,39-;20?,21?,22?,28-,29+,30+,31-;20?,21?,22?,23?,28-,29+,30+,31-;20?,21?,22?,27-,28+,29+,30-;;;/m00000.../s1.

What are the key properties of (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid?

(4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid has a molecular weight of 3015.42 g/mol, XLogP of 45.98, 15 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(4aS,6aS,6bR,12aR)-11-isocyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid;(1R,2S,5S,15R)-18-amino-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid;benzyl N-[(1R,2S,5S,15R)-5-(2-aminoacetyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-18-yl]carbamate;ethylbenzene;(1R,2S,5S,15R)-1,2,8,8,15,22,22-heptamethyl-18-(phenylmethoxycarbonylamino)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid is sourced from PubChem (CID 157484707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).