4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol

4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(24<sup>1</sup>)-en-3β-ol




Chemical Formula:
C31H49O3
Molecular Weight:
469.726 Daltons
Monoisotopic Mass:
470.3759954713 Daltons
SMILES:
CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C([O-])=O)(C)C(O)CCC2(CC12CCC(C)34)5))))
InChI:
1S/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/p-1/t21-,22-,23+,24+,25+,27-,28+,29+,30?,31?/m1/s1
InChIKey:
RLRGKMMFFVWPHT-HHJZNCEMSA-M

Synonyms
  • (3β,4α)-3-hydroxy-24-methylene-9,19-cyclolanostan-28-oic acid

Databases
MetaCyc:  CPD-12867
PubChem (CID):  102515218 137333860
CAS:  149252-87-9
Seed:  cpd23617
MetaNetX:  MNXM10245
ChEBI:  142916