(Q115972362)

English

(1S,2S,5S,7R,8S,9R,10S,11R,12R)-7,9,10-trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-14-en-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

362.172938552 dalton

1 reference

1 reference

C₂₀H₂₆O₆

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canonical SMILES

O=C1CC2C(=C)C(O)C3(C2)C1C45C=CCC(C)(CO)C5C(O)C3(O)OC4

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isomeric SMILES

C=C1[C@@H]2CC(=O)[C@H]3[C@]45C=CC[C@@](C)(CO)[C@H]4[C@H](O)[C@](O)(OC5)[C@]3(C2)[C@@H]1O

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found in taxon

Isodon sculponeatus

1 reference

stated in

ent-Kaurane and cembrane diterpenoids from Isodon sculponeatus and their cytotoxicity

Identifiers

InChI

InChI=1S/C20H26O6/c1-10-11-6-12(22)13-18-5-3-4-17(2,8-21)14(18)16(24)20(25,26-9-18)19(13,7-11)15(10)23/h3,5,11,13-16,21,23-25H,1,4,6-9H2,2H3/t11-,13+,14-,15-,16+,17+,18-,19+,20+/m1/s1

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InChIKey

CUCFNRCZJOPOQI-HGHYNIDZSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CUCFNRCZJOPOQI-HGHYNIDZSA-N

1 reference

(Q115972362)

(1S,2S,5S,7R,8S,9R,10S,11R,12R)-7,9,10-trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-14-en-3-one

Statements

Identifiers

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