(Q105127174)

English

(2S,4aS,8S,8aS)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol

chemical compound

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instance of

type of chemical entity

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subclass of

8-(3-hydroxy-3-methylpent-4-enyl)-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol

1 reference

based on heuristic

inferred from SMILES

mass

306.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,4aR,8R,8aR)-8-[(3S)-3-hydroxy-3-methylpent-4-enyl]-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,4aR,8R,8aR)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol

1 reference

based on heuristic

inferred from InChI

(2R,4aR,8R,8aR)-8-[(3S)-3-hydroxy-3-methylpent-4-enyl]-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₂

0 references

canonical SMILES

OC1CC(C)(C)C2CCC(=C)C(CCC(O)(C=C)C)C2(C)C1

0 references

isomeric SMILES

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

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found in taxon

Aster spathulifolius

1 reference

stated in

Labdane diterpenes from Aster spathulifolius and their cytotoxic effects on human cancer cell lines

Identifiers

InChI

InChI=1S/C20H34O2/c1-7-19(5,22)11-10-16-14(2)8-9-17-18(3,4)12-15(21)13-20(16,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17-,19-,20+/m0/s1

0 references

InChIKey

JGBAOJFZQJIUKE-VDWQKOAOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JGBAOJFZQJIUKE-VDWQKOAOSA-N

(Q105127174)

(2S,4aS,8S,8aS)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol

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