(Q105122182)

English

(1S,2R,4aR,6aR,6aS,6bR,8R,8aR,10S,12aR,14bS)-8,10-diacetyloxy-14b-hydroxy-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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instance of

type of chemical entity

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subclass of

8,10-Diacetyloxy-14b-hydroxy-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

572.371304004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₂O₇

0 references

canonical SMILES

O=C(OC1CC2(C)C(CC=C3C4(O)C(C)C(C(=O)O)CCC4(C)CCC32C)C5(C)CCC(OC(=O)C)C(C)(C)C15)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](OC(C)=O)C[C@]3(C)[C@@H]2CC=C2[C@]4(O)[C@@H](C)[C@H](C(=O)O)CC[C@]4(C)CC[C@]23C)C1(C)C

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found in taxon

Uncaria elliptica

1 reference

stated in

Three new ursene carboxylic acids from Uncaria thwaitesii

Identifiers

InChI

InChI=1S/C34H52O7/c1-19-22(28(37)38)12-14-30(6)16-17-32(8)25(34(19,30)39)11-10-24-31(7)15-13-26(41-21(3)36)29(4,5)27(31)23(40-20(2)35)18-33(24,32)9/h11,19,22-24,26-27,39H,10,12-18H2,1-9H3,(H,37,38)/t19-,22+,23+,24+,26-,27-,30+,31+,32+,33+,34+/m0/s1

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InChIKey

IXIAZOKWZVBNOM-BTMSZGKNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXIAZOKWZVBNOM-BTMSZGKNSA-N

(Q105122182)

(1S,2R,4aR,6aR,6aS,6bR,8R,8aR,10S,12aR,14bS)-8,10-diacetyloxy-14b-hydroxy-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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