C#CCOC1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)CO)[C@@]4(C)CC[C@@H]32)C1

이름: 3-(prop-2-ynyloxy)cholestanol

IUPAC: (6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-prop-2-ynoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-1-ol

SMILES: C#CCOC1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)CO)[C@@]4(C)CC[C@@H]32)C1

Canonical SMILES: CC(CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OCC#C)C)C)CO

분자식: C30H50O2

분자량: 442.70

InChIKey: DECKXFGSBQZMRK-ZYRQVZLCSA-N

InChI:

InChI=1S/C30H50O2/c1-6-18-32-24-14-16-29(4)23(19-24)10-11-25-27-13-12-26(30(27,5)17-15-28(25)29)22(3)9-7-8-21(2)20-31/h1,21-28,31H,7-20H2,2-5H3/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-/m1/s1

PubChem CID: 87398383 →

동의어

3-(prop-2-ynyloxy)cholestanolSCHEMBL2507039DECKXFGSBQZMRK-ZYRQVZLCSA-N

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