(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione

C105H118O21 — CID 157175706

IUPAC(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione
SMILESC=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(C)(C)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13.C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(CC)(CC)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13.C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(c4ccccc4)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13
InChIInChI=1S/C37H38O7.C35H42O7.C33H38O7/c1-18-10-12-23-20(3)32(39)41-30(23)28-25(18)16-27(38)35(28)14-15-36-29-26(19(2)11-13-24-21(4)33(40)42-31(24)29)17-37(35,36)44-34(43-36)22-8-6-5-7-9-22;1-7-32(8-2)41-34-14-13-33(25(36)15-23-17(3)9-11-21-19(5)30(37)39-28(21)26(23)33)35(34,42-32)16-24-18(4)10-12-22-20(6)31(38)40-29(22)27(24)34;1-15-7-9-19-17(3)28(35)37-26(19)24-21(15)13-23(34)31(24)11-12-32-25-22(14-33(31,32)40-30(5,6)39-32)16(2)8-10-20-18(4)29(36)38-27(20)25/h5-9,23-26,28-31,34H,1-4,10-17H2;21-24,26-29H,3-16H2,1-2H3;19-22,24-27H,1-4,7-14H2,5-6H3/t23-,24-,25?,26-,28?,29-,30-,31-,34?,35+,36-,37-;21-,22-,23?,24-,26?,27-,28-,29-,33+,34-,35-;19-,20-,21?,22-,24?,25-,26-,27-,31+,32-,33-/m000/s1
InChIKeyANZACFPAANPWBS-XRIVSDPLSA-N
MW1716.08 g/mol
LogP16.03
Rot. Bonds3

About (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione

(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione (PubChem CID 157175706) has the molecular formula C105H118O21 and a molecular weight of 1716.08 g/mol. Its IUPAC name is (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione.

Molecular Properties

Compound Name(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione
PubChem CID157175706
Molecular FormulaC105H118O21
Molecular Weight1716.08 g/mol
Exact Mass1714.82
IUPAC Name(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione
SMILESC=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(C)(C)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13.C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(CC)(CC)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13.C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(c4ccccc4)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13
InChIInChI=1S/C37H38O7.C35H42O7.C33H38O7/c1-18-10-12-23-20(3)32(39)41-30(23)28-25(18)16-27(38)35(28)14-15-36-29-26(19(2)11-13-24-21(4)33(40)42-31(24)29)17-37(35,36)44-34(43-36)22-8-6-5-7-9-22;1-7-32(8-2)41-34-14-13-33(25(36)15-23-17(3)9-11-21-19(5)30(37)39-28(21)26(23)33)35(34,42-32)16-24-18(4)10-12-22-20(6)31(38)40-29(22)27(24)34;1-15-7-9-19-17(3)28(35)37-26(19)24-21(15)13-23(34)31(24)11-12-32-25-22(14-33(31,32)40-30(5,6)39-32)16(2)8-10-20-18(4)29(36)38-27(20)25/h5-9,23-26,28-31,34H,1-4,10-17H2;21-24,26-29H,3-16H2,1-2H3;19-22,24-27H,1-4,7-14H2,5-6H3/t23-,24-,25?,26-,28?,29-,30-,31-,34?,35+,36-,37-;21-,22-,23?,24-,26?,27-,28-,29-,33+,34-,35-;19-,20-,21?,22-,24?,25-,26-,27-,31+,32-,33-/m000/s1
InChIKeyANZACFPAANPWBS-XRIVSDPLSA-N
XLogP16.03
TPSA264.39 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds3
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001716.08
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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'}

Analyze (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione?
The IUPAC name of (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione (CID 157175706) is (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione.
What is the SMILES notation for (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione?
The canonical SMILES for (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione is C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(C)(C)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13.C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(CC)(CC)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13.C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@]21CC[C@@]23OC(c4ccccc4)O[C@]21C[C@H]1C(=C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]13.
What is the InChIKey of (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione?
The InChIKey is ANZACFPAANPWBS-XRIVSDPLSA-N. The full InChI is InChI=1S/C37H38O7.C35H42O7.C33H38O7/c1-18-10-12-23-20(3)32(39)41-30(23)28-25(18)16-27(38)35(28)14-15-36-29-26(19(2)11-13-24-21(4)33(40)42-31(24)29)17-37(35,36)44-34(43-36)22-8-6-5-7-9-22;1-7-32(8-2)41-34-14-13-33(25(36)15-23-17(3)9-11-21-19(5)30(37)39-28(21)26(23)33)35(34,42-32)16-24-18(4)10-12-22-20(6)31(38)40-29(22)27(24)34;1-15-7-9-19-17(3)28(35)37-26(19)24-21(15)13-23(34)31(24)11-12-32-25-22(14-33(31,32)40-30(5,6)39-32)16(2)8-10-20-18(4)29(36)38-27(20)25/h5-9,23-26,28-31,34H,1-4,10-17H2;21-24,26-29H,3-16H2,1-2H3;19-22,24-27H,1-4,7-14H2,5-6H3/t23-,24-,25?,26-,28?,29-,30-,31-,34?,35+,36-,37-;21-,22-,23?,24-,26?,27-,28-,29-,33+,34-,35-;19-,20-,21?,22-,24?,25-,26-,27-,31+,32-,33-/m000/s1.
What are the key properties of (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione?
(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione has a molecular weight of 1716.08 g/mol, XLogP of 16.03, 3 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-diethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-15,15-dimethyl-3',6,6',10-tetramethylidenespiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione;(1S,2S,3S,3'aS,6'aR,7S,9'bS,11R,13S,19R)-3',6,6',10-tetramethylidene-15-phenylspiro[4,14,16-trioxapentacyclo[11.3.3.01,13.02,11.03,7]nonadecane-19,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',5,8'-trione is sourced from PubChem (CID 157175706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).