(Q104917976)

English

(3S,4aR,6aR,7R,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CC=C3C4CC(C(=O)O)(C)CCC4(C)CCC32C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@]1(C)CCC(=O)O

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found in taxon

Maytenus undata

1 reference

stated in

Bioactive 12-oleanene triterpene and secotriterpene acids from Maytenus undata.

Sandoricum indicum

1 reference

stated in

New multiflorane-type triterpenoid acids from Sandoricum indicum

Santol

1 reference

stated in

New multiflorane-type triterpenoid acids from Sandoricum indicum

Dillenia serrata

1 reference

stated in

Inhibitory effect of triterpenoids from Dillenia serrata (Dilleniaceae) on prostaglandin E2 production and quantitative HPLC analysis of its koetjapic acid and betulinic acid contents.

Identifiers

InChI

InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22-,23+,26+,27-,28+,29+,30+/m0/s1

0 references

InChIKey

ASOUKQDZWGOCBR-ILOYBBTPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASOUKQDZWGOCBR-ILOYBBTPSA-N

(Q104917976)

(3S,4aR,6aR,7R,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid

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