(Q104400285)

English

[(2S,5S,9S,10R,11R,15S,18R)-7,9,10,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate

group of stereoisomers with the chemical formula C₂₂H₃₂O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

408.214803364 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₇

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canonical SMILES

O=C(OC1CCC(C)(C)C2C(O)C3(O)OCC12C4CCC5C(=C)C(O)C43C5O)C

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isomeric SMILES

C=C1C(O)C23[C@@H](CC[C@@H]1[C@H]2O)C12CO[C@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O

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found in taxon

Isodon scoparius

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stated in

Bioactive ent-kaurane diterpenoids from Isodon rubescens.

Identifiers

InChI

InChI=1S/C22H32O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-18,24-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,16?,17+,18+,20?,21?,22+/m0/s1

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InChIKey

BSANMXUGYAXKKD-YKWTYTHRSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BSANMXUGYAXKKD-YKWTYTHRSA-N

1 reference

(Q104400285)

[(2S,5S,9S,10R,11R,15S,18R)-7,9,10,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate

Statements

Identifiers

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