(Q110178068)

English

(2S)-2-[(3S,4aR,6aS,10aS)-4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromen-3-yl]-4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol

group of stereoisomers with the chemical formula C₃₀H₅₂O₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

444.396730904 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₂

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canonical SMILES

OC(C)(CCC1C(=C)CCCC1(C)C)C2OC3(C)CCC4C(C)(C)CCCC4(C)C3CC2

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isomeric SMILES

C=C1CCCC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H]1CCC2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1

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found in taxon

Physeter macrocephalus

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stated in

Chemical transformation and biological activities of ambrein, a major product of ambergris from Physeter macrocephalus (sperm whale)

Physeter catodon

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stated in

Chemical transformation and biological activities of ambrein, a major product of ambergris from Physeter macrocephalus (sperm whale)

Identifiers

InChI

InChI=1S/C30H52O2/c1-21-11-9-16-26(2,3)22(21)14-19-29(7,31)25-13-12-24-28(6)18-10-17-27(4,5)23(28)15-20-30(24,8)32-25/h22-25,31H,1,9-20H2,2-8H3/t22-,23+,24?,25+,28+,29+,30-/m1/s1

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InChIKey

HXCVTTSIJYSHGE-PLHAWAQJSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HXCVTTSIJYSHGE-PLHAWAQJSA-N

1 reference

(Q110178068)

(2S)-2-[(3S,4aR,6aS,10aS)-4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromen-3-yl]-4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ol

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