(Q105140292)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

C₃₀H₄₈O₄

0 references

canonical SMILES

O=C(O)C12CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C(O)C(C)(C)CC1)C

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O

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found in taxon

Gardenia latifolia

1 reference

stated in

Triterpenoids of Gardenia latifolia

Identifiers

InChI

InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27-,28+,29+,30-/m0/s1

0 references

InChIKey

KFALHTDSQSJCFC-NURVQDQSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFALHTDSQSJCFC-NURVQDQSSA-N

(Q105140292)

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

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