(Q105212107)

English

(1S,4S,4aS,6R,8aR)-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1,6-diol

chemical compound

In more languages

Statements

type of chemical entity

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cadinane sesquiterpenoid

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240.208930136 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₈O₂

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canonical SMILES

OC1(C)CCC2C(C1)C(CCC2(O)C)C(C)C

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isomeric SMILES

CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)C[C@@H]12

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1 reference

Two new sesquiterpenes from Acorus calamus

Identifiers

InChI=1S/C15H28O2/c1-10(2)11-5-8-15(4,17)13-6-7-14(3,16)9-12(11)13/h10-13,16-17H,5-9H2,1-4H3/t11-,12-,13+,14+,15-/m0/s1

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PNPPFTXWBZJPGW-AHDPXTMNSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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