(4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]

C30H52 — CID 165367132

About (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]

(4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane] (PubChem CID 165367132) has the molecular formula C30H52 and a molecular weight of 412.75 g/mol. Its IUPAC name is (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane].

Molecular Properties

• Compound Name: (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]
• PubChem CID: 165367132
• Molecular Formula: C30H52
• Molecular Weight: 412.75 g/mol
• Exact Mass: 412.41
• IUPAC Name: (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]
• SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@@]12CCCC2(C)C
• InChI: InChI=1S/C30H52/c1-21-22-10-11-23-24-20-25(2,3)14-15-27(24,6)16-17-29(23,8)28(22,7)18-19-30(21)13-9-12-26(30,4)5/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27+,28+,29+,30-/m0/s1
• InChIKey: HSXHAHFCTLMAMJ-NTDXXWNSSA-N
• XLogP: 9.28
• TPSA: 0.00 Ų
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.75
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]?

The IUPAC name of (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane] (CID 165367132) is (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane].

What is the SMILES notation for (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]?

The canonical SMILES for (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane] is C[C@H]1[C@H]2CC[C@@H]3[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@@]12CCCC2(C)C.

What is the InChIKey of (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]?

The InChIKey is HSXHAHFCTLMAMJ-NTDXXWNSSA-N. The full InChI is InChI=1S/C30H52/c1-21-22-10-11-23-24-20-25(2,3)14-15-27(24,6)16-17-29(23,8)28(22,7)18-19-30(21)13-9-12-26(30,4)5/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27+,28+,29+,30-/m0/s1.

What are the key properties of (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane]?

(4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane] has a molecular weight of 412.75 g/mol, XLogP of 9.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,4bR,6aR,7S,8S,10aR,10bR,12aR)-2',2',3,3,7,10a,10b,12a-octamethylspiro[2,4,4a,4b,5,6,6a,7,9,10,11,12-dodecahydro-1H-chrysene-8,1'-cyclopentane] is sourced from PubChem (CID 165367132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).