(Q105214225)

English

(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10-[3-(4-Hydroxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

602.397124828 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3beta-[(Z)-3-(4-Hydroxyphenyl)propenoyloxy]oleana-12-ene-28-oic acid

1 reference

based on heuristic

inferred from InChI

(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₄O₅

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC43C)C1(C)C)C=CC6=CC=C(O)C=C6

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Bauhinia purpurea

1 reference

stated in

Studies on the Constituents from the Bark ofBauhinia Purpurea

Casuarina equisetifolia

1 reference

stated in

Coumaroyl triterpenes from Casuarina equisetifolia

Hippophae rhamnoides

1 reference

stated in

Triterpenoids from Hippophae rhamnoides L. and their nitric oxide production-inhibitory and DPPH radical-scavenging activities

Flueggea tinctoria

1 reference

stated in

A New Oleanic Acid Derivative from Securinega tinctoria

Securinega tinctoria

1 reference

stated in

A New Oleanic Acid Derivative from Securinega tinctoria

Identifiers

InChI

InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1

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InChIKey

PSKOYUFGDWKJBO-CEDKKCENSA-N

0 references

1 reference

26 December 2021

1 reference

(Q105214225)

(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

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