(Q105165014)

(4aS,6aR,6aR,6bR,8aS,10S,12aR,14bR)-10-hydroxy-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

inferred from SMILES

stereoisomer of

2 references

(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-hydroxy-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

2 references

(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-10-hydroxy-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

2 references

(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-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

2 references

(4aR,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-hydroxy-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

2 references

(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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

2 references

(4aR,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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

2 references

(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bR)-10-hydroxy-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

(4aS,6aR,6aR,6bS,8aS,10R,12aS,14bR)-10-hydroxy-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

(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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

(4aR,6aR,6aS,6bR,8aS,10R,12aS,14bR)-10-hydroxy-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

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

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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]2C1

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found in taxon

Akebia quinata

2 references

Pericarp saponins of Akebia quinata Decne. I. Glycosides of hederagenin and oleanolic acid.

Triterpenoids of Akebia quinata callus tissue

Cassinia laevis

1 reference

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Casuarina equisetifolia

1 reference

Coumaroyl triterpenes from Casuarina equisetifolia

Ceriops tagal

1 reference

Dammarane triterpenes from the hypocotyls and fruits of Ceriops tagal

Clusia rosea

1 reference

Triterpenoid constituents of Clusia rosea

Gleditsia triacanthos

1 reference

Triterpene glycosides of Gleditschia triacanthos V. Structure of triacanthoside C and the minor glycosides

Halenia elliptica

1 reference

Two xanthone glucosides from Halenia elliptica

Hedera colchica

1 reference

A study of the saponins ofHedera colchica

Exallage auricularia

1 reference

Chemical constituents of Actinodaphne augustifolia, Croton sparsiflorus, Duabanga sonneratiodes, Glycosmis mauritiana, Hedyotis auricularia, Lyonia ovalifolia, Micromelum pubescens, Pyrus pashia and Rhododendron niveum

Punica granatum

1 reference

Medicinal flowers. XXIII. New taraxastane-type triterpene, punicanolic acid, with tumor necrosis factor-alpha inhibitory activity from the flowers of Punica granatum

Oedera acerosa

1 reference

Neue labdan-derivate und andere inhaltsstoffe aus Relhania acerosa

Relhania acerosa

1 reference

Neue labdan-derivate und andere inhaltsstoffe aus Relhania acerosa

Salvia melissodora

1 reference

Further ent-clerodane diterpenoids from Salvia melissodora

Salvia pubescens

1 reference

Abietane diterpenoids from Salvia pubescens☆

Bobgunnia madagascariensis

1 reference

Swartziagenin: A mixture of oleanolic and O-acetyloleanolic acids

Cascabela thevetia

1 reference

Cardenolides and triterpenoids of the leaves of Thevetia neriifolia

Thevetia neriifolia

1 reference

Cardenolides and triterpenoids of the leaves of Thevetia neriifolia

Thevetia peruviana

1 reference

Cardenolides and triterpenoids of the leaves of Thevetia neriifolia

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22-,23+,27+,28-,29-,30+/m1/s1

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InChIKey

MIJYXULNPSFWEK-JZQYXDLISA-N

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1 reference

17 September 2022