(Q104396929)

English

[(1S,2R,8S,9S,11R)-7-acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-10-yl] acetate

group of stereoisomers with the chemical formula C₂₄H₃₀O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

430.1991532999999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₃₀O₇

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canonical SMILES

O=C(OC1C(=C)C2CCC3C45C(=O)C=CC(C)(C)C5C(OC(=O)C)C(O)(OC4)C13C2)C

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isomeric SMILES

C=C1C2CC[C@@H]3[C@@]45CO[C@](O)(C(OC(C)=O)[C@@H]4C(C)(C)C=CC5=O)[C@]3(C2)C1OC(C)=O

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found in taxon

Isodon nervosus

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stated in

Diterpenoids from Rabdosia nervosa

stated in

Diterpenoids from Rabdosia nervosa

Identifiers

InChI

InChI=1S/C24H30O7/c1-12-15-6-7-16-22-11-29-24(28,23(16,10-15)19(12)30-13(2)25)20(31-14(3)26)18(22)21(4,5)9-8-17(22)27/h8-9,15-16,18-20,28H,1,6-7,10-11H2,2-5H3/t15?,16-,18-,19?,20?,22-,23+,24-/m1/s1

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InChIKey

VIZWMBLJPXPZSQ-DOVSFRGSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

VIZWMBLJPXPZSQ-DOVSFRGSSA-N

1 reference

(Q104396929)

[(1S,2R,8S,9S,11R)-7-acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-10-yl] acetate

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Identifiers

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