(Q105170349)

English

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

group of stereoisomers with the chemical formula C₃₀H₅₀O

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Statements

instance of

group of stereoisomers

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1 reference

426.38616622 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1

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InChIKey

MQYXUWHLBZFQQO-CZYRXZFSSA-N

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26 December 2021

matched by identifier from

InChIKey

MQYXUWHLBZFQQO-CZYRXZFSSA-N

1 reference

(Q105170349)

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

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