(Q105189547)

English

(1R,2S,4aR,4bS,7R,8S,8aS)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol

chemical compound

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instance of

type of chemical entity

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subclass of

8-(Hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol

1 reference

based on heuristic

inferred from SMILES

mass

336.230059504 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,4aR,4bR,7R,8S,8aR)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,4aR,4bR,7S,8R,8aR)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₄

0 references

canonical SMILES

OCC(=C)C1CCC2C(=CCC3C(C)(CO)C(O)CCC23C)C1O

0 references

isomeric SMILES

C=C(CO)[C@@H]1CC[C@H]2C(=CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@]32C)[C@@H]1O

0 references

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-Abietane diterpenoids from Isodon rubescens var. rubescens.

Identifiers

InChI

InChI=1S/C20H32O4/c1-12(10-21)13-4-6-15-14(18(13)24)5-7-16-19(15,2)9-8-17(23)20(16,3)11-22/h5,13,15-18,21-24H,1,4,6-11H2,2-3H3/t13-,15-,16-,17+,18+,19-,20+/m0/s1

0 references

InChIKey

OCSPOCDQHVVGDZ-AQXXYSFRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OCSPOCDQHVVGDZ-AQXXYSFRSA-N

(Q105189547)

(1R,2S,4aR,4bS,7R,8S,8aS)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol

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Identifiers

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