(Q105187735)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

488.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₅

0 references

canonical SMILES

O=C(O)C1CCC2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2(O)C1C)C

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isomeric SMILES

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

0 references

found in taxon

Uncaria elliptica

1 reference

stated in

Three new ursene carboxylic acids from Uncaria thwaitesii

Identifiers

InChI

InChI=1S/C30H48O5/c1-17-18(24(33)34)10-12-26(4)14-15-28(6)21(30(17,26)35)9-8-20-27(5)13-11-22(32)25(2,3)23(27)19(31)16-29(20,28)7/h9,17-20,22-23,31-32,35H,8,10-16H2,1-7H3,(H,33,34)/t17-,18+,19+,20+,22-,23-,26+,27+,28+,29+,30+/m0/s1

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InChIKey

NYWAITYOKQQGNA-VQYMIDOWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NYWAITYOKQQGNA-VQYMIDOWSA-N

1 reference

(Q105187735)

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

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Identifiers

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