(Q110180559)

English

(1R,2R,4aS,8aS)-1-[6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

chemical compound

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type of chemical entity

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1 reference

1 reference

1-[6-(2,2-Dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol

1 reference

based on heuristic

inferred from SMILES

mass

428.401816284 dalton

1 reference

1 reference

(1R,2R,4aS,8aR)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

1 reference

based on heuristic

inferred from InChI

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]1CCC(C)=CCC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O

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found in taxon

Physeter macrocephalus

1 reference

stated in

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

Physeter catodon

1 reference

stated in

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

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/t24-,25+,26-,29+,30-/m1/s1

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InChIKey

BIADSXOKHZFLSN-GCJBHHCISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BIADSXOKHZFLSN-GCJBHHCISA-N

(Q110180559)

(1R,2R,4aS,8aS)-1-[6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

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