(Q105255361)

English

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-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

0 references

subclass of

lupane

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mass

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-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 InChI

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C(O)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(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]5CC[C@]43C)[C@H]12

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found in taxon

Ceriops tagal

1 reference

stated in

Dammarane triterpenes from the hypocotyls and fruits of Ceriops tagal

Ficus microcarpa

1 reference

stated in

Ficus spp. (fig): ethnobotany and potential as anticancer and anti-inflammatory agents

Monteverdia cuzcoina

1 reference

stated in

Lupane triterpenoids from Maytenus species

Nothofagus pumilio

1 reference

stated in

Insect antifeedant compounds from Nothofagus dombeyi and N. pumilio.

Stauntonia hexaphylla

1 reference

stated in

A phenolic glycoside and triterpenoids from Stauntonia hexaphylla

Vatica cinerea

1 reference

stated in

Natural anti-HIV agents. Part IV. Anti-HIV constituents from Vatica cinerea.

Senegalia mellifera

1 reference

stated in

Cytotoxic lupane-type triterpenoids from Acacia mellifera.

Identifiers

InChI

InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1

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InChIKey

SLJTWDNVZKIDAU-UXEXATSUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLJTWDNVZKIDAU-UXEXATSUSA-N

1 reference

(Q105255361)

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-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

Statements

Identifiers

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