(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)

C96H150O17 — CID 159256680

IUPAC(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)
SMILESCC1(C)C(=O)CC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CC(=O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CCC(=O)[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)C[C@H](O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)C[C@H](O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12
InChIInChI=1S/2C16H24O3.2C16H26O3.C16H24O3.C16H26O2/c1-14(2)10-5-8-16(4)11(9-13(18)19-16)15(10,3)7-6-12(14)17;1-14(2)7-6-12(17)16(4)10(14)5-8-15(3)11(16)9-13(18)19-15;3*1-14(2)8-10(17)9-15(3)11(14)5-6-16(4)12(15)7-13(18)19-16;1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h2*10-11H,5-9H2,1-4H3;2*10-12,17H,5-9H2,1-4H3;11-12H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3/t10-,11+,15-,16+;10-,11-,15+,16-;2*10-,11-,12+,15-,16+;2*11-,12+,15-,16+/m000000/s1
InChIKeyKVZGUTPAKARQMW-BMEFHBPWSA-N
MW1576.24 g/mol
LogP19.09
Rot. Bonds

About (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)

(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one) (PubChem CID 159256680) has the molecular formula C96H150O17 and a molecular weight of 1576.24 g/mol. Its IUPAC name is (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one).

Molecular Properties

Compound Name(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)
PubChem CID159256680
Molecular FormulaC96H150O17
Molecular Weight1576.24 g/mol
Exact Mass1575.09
IUPAC Name(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)
SMILESCC1(C)C(=O)CC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CC(=O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CCC(=O)[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)C[C@H](O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)C[C@H](O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12
InChIInChI=1S/2C16H24O3.2C16H26O3.C16H24O3.C16H26O2/c1-14(2)10-5-8-16(4)11(9-13(18)19-16)15(10,3)7-6-12(14)17;1-14(2)7-6-12(17)16(4)10(14)5-8-15(3)11(16)9-13(18)19-15;3*1-14(2)8-10(17)9-15(3)11(14)5-6-16(4)12(15)7-13(18)19-16;1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h2*10-11H,5-9H2,1-4H3;2*10-12,17H,5-9H2,1-4H3;11-12H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3/t10-,11+,15-,16+;10-,11-,15+,16-;2*10-,11-,12+,15-,16+;2*11-,12+,15-,16+/m000000/s1
InChIKeyKVZGUTPAKARQMW-BMEFHBPWSA-N
XLogP19.09
TPSA249.47 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.24
LogP ≤ 519.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 159370591
(3aR,9aS,9bR)-8-fluoro-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 164887829
8-chloro-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 162410007
(5S)-5-[(3S,3aR,5aR,9aR)-3a,6,6,9a-tetramethyl-7-oxo-2,3,4,5,5a,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-5-methyloxolan-2-one
CID 122473556
3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 157371004
(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydronaphtho[2,1-d][1,3]dioxin-3-one
CID 71580669
(2S,3aR,4'S,5aS,9aS,9bR)-3a,4',6,6,9a-pentamethylspiro[1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2,5'-oxolane]-2'-one
CID 101289579
(3aR,8S,9aS,9bR)-3a,6,6,9a-tetramethyl-8-phenyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 166130483
O-ethyl (3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-8-yl)sulfanylmethanethioate
CID 138977387
(1R,3aR,5aS,9aS,9bS)-1-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 12990582
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-2-one
CID 12742959
(3aR,9aS,9bR)-3a,9a-dimethyl-4,5,5a,6,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-one
CID 143398960

Frequently Asked Questions

What is the IUPAC name of (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)?
The IUPAC name of (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one) (CID 159256680) is (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one).
What is the SMILES notation for (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)?
The canonical SMILES for (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one) is CC1(C)C(=O)CC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CC(=O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CCC(=O)[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)C[C@H](O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.CC1(C)C[C@H](O)C[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12.
What is the InChIKey of (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)?
The InChIKey is KVZGUTPAKARQMW-BMEFHBPWSA-N. The full InChI is InChI=1S/2C16H24O3.2C16H26O3.C16H24O3.C16H26O2/c1-14(2)10-5-8-16(4)11(9-13(18)19-16)15(10,3)7-6-12(14)17;1-14(2)7-6-12(17)16(4)10(14)5-8-15(3)11(16)9-13(18)19-15;3*1-14(2)8-10(17)9-15(3)11(14)5-6-16(4)12(15)7-13(18)19-16;1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h2*10-11H,5-9H2,1-4H3;2*10-12,17H,5-9H2,1-4H3;11-12H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3/t10-,11+,15-,16+;10-,11-,15+,16-;2*10-,11-,12+,15-,16+;2*11-,12+,15-,16+/m000000/s1.
What are the key properties of (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one)?
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one) has a molecular weight of 1576.24 g/mol, XLogP of 19.09, 0 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,8,9b-hexahydro-1H-benzo[e][1]benzofuran-2,9-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,7,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,8-dione;(3aR,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;bis((3aR,5aS,8S,9aS,9bR)-8-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one) is sourced from PubChem (CID 159256680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).