(Q105233478)

English

[(1R,2R,3R,4S,6R,7S,9R,10S,11S,13S)-2,3,6-triacetyloxy-7-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

0 references

mass

534.246497416 dalton

1 reference

1 reference

C₂₈H₃₈O₁₀

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canonical SMILES

O=C(OC1CC2C(=C)C(=O)C3(C2)C(OC(=O)C)C(OC(=O)C)C4C(C)(C)C(OC(=O)C)C(O)CC4(C)C13)C

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isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]1(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3OC(C)=O

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found in taxon

Isodon angustifolius

1 reference

stated in

Glabcensin V–Y, four ent-kaurane diterpenoids from Isodon angustifolius var. Glabrescens

Identifiers

InChI

InChI=1S/C28H38O10/c1-12-17-9-19(35-13(2)29)21-27(8)11-18(33)24(37-15(4)31)26(6,7)22(27)20(36-14(3)30)25(38-16(5)32)28(21,10-17)23(12)34/h17-22,24-25,33H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27-,28+/m1/s1

0 references

InChIKey

RCBBSWXFYDRQED-TWLSMXHPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RCBBSWXFYDRQED-TWLSMXHPSA-N

(Q105233478)

[(1R,2R,3R,4S,6R,7S,9R,10S,11S,13S)-2,3,6-triacetyloxy-7-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Statements

Identifiers

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