(Q104399264)

English

(3aR,5aR,6S,7R,9aR,9bR,11aR)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(Hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

1 reference

(3aS,5aR,6R,7S,9aR,9bR,11aR)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

OCC1(C)C(O)CCC2(C)C3C(=CCC12)C4OCC(=C)C4CC3

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isomeric SMILES

C=C1CO[C@H]2C3=CC[C@H]4[C@@](C)(CO)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]12

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found in taxon

Isodon parvifolius

1 reference

stated in

Ent-abietane and ent-labdane diterpenoids from Isodon parvifolius

Isodon rubescens

1 reference

stated in

ent-Kaurene diterpenoids from Isodon rubescens

Identifiers

InChI

InChI=1S/C20H30O3/c1-12-10-23-18-13(12)4-6-15-14(18)5-7-16-19(15,2)9-8-17(22)20(16,3)11-21/h5,13,15-18,21-22H,1,4,6-11H2,2-3H3/t13-,15+,16-,17-,18-,19-,20-/m1/s1

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InChIKey

PSCMUJSYIGILPT-KDDXTAFZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PSCMUJSYIGILPT-KDDXTAFZSA-N

1 reference

(Q104399264)

(3aR,5aR,6S,7R,9aR,9bR,11aR)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol

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Identifiers

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