(Q104961407)

English

(2R,4aR,6aR,6bR,8aR,10R,12aR,14aS,14bR)-10-hydroxy-2,4a,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-hydroxy-2,4a,6b,9,9,12a,14a-heptamethyl-1,3,4,5,7,8,8a,10,11,12,12b,13,14,14b-tetradecahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C(O)C1(C)CCC2(C)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1

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isomeric SMILES

CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@@H]12

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found in taxon

Manihot Esculenta

1 reference

stated in

New cytotoxic triterpene acids from aboveground parts of Manihot esculenta from the Suriname rainforest.

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)19-9-13-29(6)20-8-12-26(3)16-17-27(4,24(32)33)18-22(26)30(20,7)14-10-21(29)28(19,5)15-11-23(25)31/h8,19,21-23,31H,9-18H2,1-7H3,(H,32,33)/t19-,21+,22+,23+,26-,27+,28-,29-,30+/m0/s1

0 references

InChIKey

CJMVSFMWZIMJHI-DJNBHBMPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CJMVSFMWZIMJHI-DJNBHBMPSA-N

(Q104961407)

(2R,4aR,6aR,6bR,8aR,10R,12aR,14aS,14bR)-10-hydroxy-2,4a,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid

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