(Q104912265)

English

(3S,4S)-2-[3-[(3R,5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]butyl]oxolane-3,4-diol

group of stereoisomers with the chemical formula C₃₅H₆₀O₃

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Statements

instance of

group of stereoisomers

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1 reference

528.45424578 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₀O₃

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canonical SMILES

OC1COC(CCC(C)C2CCC3(C)C2CCC4(C)C3CCC5C6(C)CCCC(C)(C)C6CCC54C)C1O

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isomeric SMILES

CC(CCC1OC[C@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C

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found in taxon

Biemna ehrenbergi

1 reference

stated in

Ehrenasterol and biemnic acid; new bioactive compounds from the Red Sea sponge Biemna ehrenbergi

Identifiers

InChI

InChI=1S/C35H60O3/c1-22(9-10-26-30(37)25(36)21-38-26)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-37H,8-21H2,1-7H3/t22?,23-,24?,25+,26?,27?,28?,29?,30+,32+,33+,34-,35-/m1/s1

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InChIKey

AHIYJXIRRHDLAB-UPNISVNLSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104912265)

(3S,4S)-2-[3-[(3R,5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]butyl]oxolane-3,4-diol

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Identifiers

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