(Q104991762)

English

(1S,2S,3S,5S,8S,9S,11R,16S,18R)-3,18-dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

362.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₅

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canonical SMILES

O=C1C(=C)C2CC(O)C3C1(C2O)C4OC(OC)C53CCCC(C)(C)C5C4

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isomeric SMILES

C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](OC)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O

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found in taxon

Isodon rubescens

1 reference

stated in

Cytotoxic ent-kaurane diterpenoids from Isodon rubescens var. lushiensis

Identifiers

InChI

InChI=1S/C21H30O5/c1-10-11-8-12(22)15-20-7-5-6-19(2,3)13(20)9-14(26-18(20)25-4)21(15,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15-,17+,18-,20-,21+/m0/s1

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InChIKey

DZEDOCQBLMZSHN-WPHQSEFKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DZEDOCQBLMZSHN-WPHQSEFKSA-N

1 reference

(Q104991762)

(1S,2S,3S,5S,8S,9S,11R,16S,18R)-3,18-dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

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Identifiers

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