(Q104995569)

English

(1R,3aS,5aR,5bR,7R,7aR,11aR,11bR,13aS,13bR)-7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6beta-Hydroxy-3-oxolupa-20(29)-ene-28-oic acid

1 reference

based on heuristic

inferred from InChI

3-Oxo-6alpha-hydroxylupa-20(30)-ene-28-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(=O)C(C)(C)C5C(O)CC4(C)C3(C)CC1

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12

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found in taxon

Monteverdia chiapensis

1 reference

stated in

Lupane triterpenoids from Maytenus species

Monteverdia cuzcoina

1 reference

stated in

Lupane triterpenoids from Maytenus species

Identifiers

InChI

InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-21-27(5)12-11-22(32)26(3,4)24(27)20(31)16-29(21,28)7/h18-21,23-24,31H,1,8-16H2,2-7H3,(H,33,34)/t18-,19-,20+,21+,23+,24-,27+,28+,29+,30-/m0/s1

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InChIKey

FIADIPXEFYWJQV-SYNJDHFQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FIADIPXEFYWJQV-SYNJDHFQSA-N

1 reference

(Q104995569)

(1R,3aS,5aR,5bR,7R,7aR,11aR,11bR,13aS,13bR)-7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

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