(10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene

C30H48 — CID 143915269

About (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene

(10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene (PubChem CID 143915269) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene.

Molecular Properties

• Compound Name: (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene
• PubChem CID: 143915269
• Molecular Formula: C30H48
• Molecular Weight: 408.71 g/mol
• Exact Mass: 408.38
• IUPAC Name: (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene
• SMILES: C=C(C)C.C=C1C=C2CCC3C(=CC[C@]4(C)C(C(=C)CC)CCC34)[C@@]2(C)CC1.CC
• InChI: InChI=1S/C24H34.C4H8.C2H6/c1-6-17(3)20-9-10-21-19-8-7-18-15-16(2)11-13-23(18,4)22(19)12-14-24(20,21)5;1-4(2)3;1-2/h12,15,19-21H,2-3,6-11,13-14H2,1,4-5H3;1H2,2-3H3;1-2H3/t19?,20?,21?,23-,24+;;/m0../s1
• InChIKey: ZHKHKLDPLLOPFQ-QOZQYANLSA-N
• XLogP: 9.62
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.71
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene?

The IUPAC name of (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene (CID 143915269) is (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene.

What is the SMILES notation for (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene?

The canonical SMILES for (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene is C=C(C)C.C=C1C=C2CCC3C(=CC[C@]4(C)C(C(=C)CC)CCC34)[C@@]2(C)CC1.CC.

What is the InChIKey of (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene?

The InChIKey is ZHKHKLDPLLOPFQ-QOZQYANLSA-N. The full InChI is InChI=1S/C24H34.C4H8.C2H6/c1-6-17(3)20-9-10-21-19-8-7-18-15-16(2)11-13-23(18,4)22(19)12-14-24(20,21)5;1-4(2)3;1-2/h12,15,19-21H,2-3,6-11,13-14H2,1,4-5H3;1H2,2-3H3;1-2H3/t19?,20?,21?,23-,24+;;/m0../s1.

What are the key properties of (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene?

(10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene has a molecular weight of 408.71 g/mol, XLogP of 9.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,13S)-17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;ethane;2-methylprop-1-ene is sourced from PubChem (CID 143915269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).