(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene

C24H42 — CID 90978846

IUPAC(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene
SMILESCC1C2C(CCC3C[C@@H](C)CC[C@@]32C)C2CCC(C)(C)C(C)C12C
InChIInChI=1S/C24H42/c1-15-10-13-23(6)18(14-15)8-9-19-20-11-12-22(4,5)17(3)24(20,7)16(2)21(19)23/h15-21H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?,23-,24?/m0/s1
InChIKeyXKKWYPCZTXEUSW-XTYXIWIRSA-N
MW330.60 g/mol
LogP7.18
Rot. Bonds

About (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene

(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene (PubChem CID 90978846) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene.

Molecular Properties

Compound Name(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene
PubChem CID90978846
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene
SMILESCC1C2C(CCC3C[C@@H](C)CC[C@@]32C)C2CCC(C)(C)C(C)C12C
InChIInChI=1S/C24H42/c1-15-10-13-23(6)18(14-15)8-9-19-20-11-12-22(4,5)17(3)24(20,7)16(2)21(19)23/h15-21H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?,23-,24?/m0/s1
InChIKeyXKKWYPCZTXEUSW-XTYXIWIRSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene with MolForge

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

Launch Full Analysis

Related Compounds

3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene
CID 22958862
1,2,6,8a-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143423059
(4'R,5'R,13'R,15'R,18'S)-5',15',18'-trimethylspiro[1,3-dioxolane-2,6'-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadecane]
CID 88916021
(3S,10S,13S)-3,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 122644558
N,N,3,10,13-pentamethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-amine
CID 174182390
(5S,9S,14S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 144770420
(8S,9R,10S,13R,14S,17S)-17-ethyl-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 173313669
1-(12-hydroxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
CID 145443253
(5S,8S,9S,10S,11S,13S,14S)-3,5',5',10,13-pentamethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-11-ol
CID 121369488
(8R,9R,10S,13S,14S)-16-chloro-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 70359591
3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 78046402
(3R,5R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;(3R,5R,8S,9S,10S,11S,13S,14S)-11-hydroxy-3,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;methane
CID 160798518

Frequently Asked Questions

What is the IUPAC name of (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene?
The IUPAC name of (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene (CID 90978846) is (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene.
What is the SMILES notation for (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene?
The canonical SMILES for (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene is CC1C2C(CCC3C[C@@H](C)CC[C@@]32C)C2CCC(C)(C)C(C)C12C.
What is the InChIKey of (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene?
The InChIKey is XKKWYPCZTXEUSW-XTYXIWIRSA-N. The full InChI is InChI=1S/C24H42/c1-15-10-13-23(6)18(14-15)8-9-19-20-11-12-22(4,5)17(3)24(20,7)16(2)21(19)23/h15-21H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?,23-,24?/m0/s1.
What are the key properties of (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene?
(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene has a molecular weight of 330.60 g/mol, XLogP of 7.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene is sourced from PubChem (CID 90978846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).