(Q115971737)

English

[(3S,4aR,6aR,6aR,6bR,8aS,10R,12R,12aR,14aR,14bR)-10-acetyloxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

taraxastane / ursane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

526.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₄

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canonical SMILES

O=C(OC1C(=C)C(C)C2C3CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C1)C

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isomeric SMILES

C=C1[C@H](OC(C)=O)C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C

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found in taxon

Cichorium intybus

1 reference

stated in

alpha-Glucosidase inhibitory activity of triterpenoids from Cichorium intybus

Identifiers

InChI

InChI=1S/C34H54O4/c1-20-21(2)29-24-11-12-27-32(8)15-14-28(38-23(4)36)30(5,6)26(32)13-16-34(27,10)33(24,9)18-17-31(29,7)19-25(20)37-22(3)35/h21,24-29H,1,11-19H2,2-10H3/t21-,24+,25+,26-,27+,28-,29+,31-,32-,33+,34+/m0/s1

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InChIKey

CTKJAYFFCNKEFR-KGLDOJJDSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CTKJAYFFCNKEFR-KGLDOJJDSA-N

1 reference

(Q115971737)

[(3S,4aR,6aR,6aR,6bR,8aS,10R,12R,12aR,14aR,14bR)-10-acetyloxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate

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Identifiers

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