(Q74417969)

English

(3E,7E)-dolabella-3,7-dien-18-ol

chemical compound

In more languages

Statements

type of chemical entity

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tertiary alcohol

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2-(3a,6,10-trimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl)propan-2-ol

1 reference

based on heuristic

inferred from SMILES

290.260965708 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol

1 reference

based on heuristic

inferred from InChI

2-[(1S,3aR,9E,12aS)-3a,6,10-trimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-ol

1 reference

based on heuristic

inferred from InChI

2-[(1S,3aS,5E,9E,12aR)-3a,6,10-trimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O

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canonical SMILES

OC(C)(C)C1CCC2(C)CC=C(C)CCC=C(C)CCC12

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isomeric SMILES

C/C/1=C\CC/C(=C/C[C@]2(CC[C@H]([C@@H]2CC1)C(C)(C)O)C)/C

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1 reference

Dolabellane Diterpenoids from the Higher PlantAglaia odorata

Dictyota dichotoma

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Slightly polar secondary metabolites from the far-eastern brown alga Dictyota dichotoma

Identifiers

InChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18+,20+/m1/s1

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OEBBSSBZPLXOHC-HJHANVIFSA-N

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ChEBI release 2019-11-01

ChEBI release 2020-09-01

1 reference

matched by identifier from

OEBBSSBZPLXOHC-HJHANVIFSA-N

Reaxys registry number

10284389

1 reference

ChEBI release 2019-11-01

mapping relation type

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matched by identifier from

International Chemical Identifier

InChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18+,20+/m1/s1

UniChem compound ID

1 reference

Sitelinks

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