A'-Neo-30-norgammacerane, 22-propyl-, (17alpha,22S)-

HCID 49345

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Basic information

CAS: 67069-15-2
Standard SMILES: CCCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
InChIKey: OWRSREGIRFCWIJ-UHFFFAOYSA-N
Molecular formula: C32H56
Average molar mass: 440.8 g/mol
Monoisotopic mass: 440.43820179

Names & identifiers

Preferred name: A'-Neo-30-norgammacerane, 22-propyl-, (17alpha,22S)-
IUPAC: 5a,5b,8,8,11a,13b-hexamethyl-3-pentan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

Names & synonyms

A'-Neo-30-norgammacerane, 22-propyl-, (17alpha,22S)-67069-15-217ALPHA(H),21ALPHA(H)-22RS-BISHOMOHOPANE67069-25-422R,17alphaH,21betaH-Bishomohopane22S,17alphaH,21betaH-BishomohopaneA'-Neo-30-norgammacerane, 22-propyl-, (17alpha,22R)-17(H),21(H),22Sbishomohopane17(H),21(H),22R-bishomohopane

Database identifiers

CAS: 67069-15-2、67069-25-4
PubChem CID: 49345

Properties

Computed structural properties

XLogP: 12.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 32
Formal charge: 0
Complexity: 720

Experimental & physicochemical properties

Chemical ClassesHydrocarbon biomarker

Related reactions

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Compound notes

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