(Q104936336)

English

(1R/S,4aR/S)-ambrein

group of stereoisomers

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

428.40181628399995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₅₂O

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canonical SMILES

OC1(C)CCC2C(C)(C)CCCC2(C)C1CCC=C(C)CCC3C(=C)CCCC3(C)C

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isomeric SMILES

C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CCC1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O

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Identifiers

InChI

InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24-,25?,26?,29+,30-/m1/s1

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InChIKey

BIADSXOKHZFLSN-YEUOVSOVSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BIADSXOKHZFLSN-YEUOVSOVSA-N

1 reference

(Q104936336)

(1R/S,4aR/S)-ambrein

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Identifiers

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