(Q72493943)

inferred from SMILES

mass

470.37599546 dalton

1 reference

methyl (4aS,6aR,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-carboxylate

inferred from SMILES

stereoisomer of

2 references

inferred from InChIKey

methyl (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-carboxylate

2 references

inferred from InChIKey

methyl (4aR,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-carboxylate

2 references

inferred from InChIKey

methyl (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-carboxylate

1 reference

methyl (4aS,6aS,6aS,6bR,8aR,10R,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-carboxylate

1 reference

methyl (4aS,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-carboxylate

1 reference

chemical formula

C₃₁H₅₀O₃

0 references

canonical SMILES

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

0 references

isomeric SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C)O

0 references

found in taxon

Mammillaria longimamma

1 reference

The Triterpene Esters of Dolichothele longimamma

Nerium oleander

1 reference

Three new triterpenes from Nerium oleander and biological activity of the isolated compounds

Salvia pomifera

1 reference

Abietane diterpenoids from Salvia pomifera

Lepechinia caulescens

1 reference

Di- and triterpenoid acids from Lepechinia caulescens

Betula ermanii

1 reference

Isoprenoids of the outer bark of the Far Eastern birches Betula costata and Betula ermanii

Musanga cecropioides

1 reference

Kalaic acid, a new ursane-type saponin from Musanga cecropioides

Polylepis australis

1 reference

Oleanolic and ursolic acid derivatives from Polylepis australis

Salvia glutinosa

1 reference

Terpenoids from Salvia glutinosa

Terminalia alata

1 reference

New constituents of Terminalia alata

Gonzalezia decurrens

1 reference

Bioactive oleanolic acid saponins and other constituents from the roots of Viguiera decurrens.

Viguiera decurrens

1 reference

Bioactive oleanolic acid saponins and other constituents from the roots of Viguiera decurrens.

Vitis vinifera

1 reference

The main triterpene compounds of vine leaves and rachises

Euptelea polyandra

1 reference

Studies on inhibitors of skin-tumor promotion, I. Inhibitory effects of triterpenes from Euptelea polyandra on Epstein-Barr virus activation

Adenanthera pavonina

1 reference

Triterpenoids of Adenanthera pavonina bark

Baccharis conferta

1 reference

Spasmolytic effects of baccharis conferta and some of its constituents

Betula dahurica

1 reference

Triterpenoids of the bark and twigs ofBetula dahurica

Eucalyptus perriniana

1 reference

Triterpenoids from Eucalyptus perriniana cultured cells

Euphorbia paralias

1 reference

Phytochemical study of Euphorbia paralias

Isodon japonicus

1 reference

Biosynthesis of oleanene- and ursene-type triterpenes from [4-13C]mevalonolactone and sodium [1,2-13C2]acetate in tissue cultures of Isodon japonicus Hara

Rosa transmorrisonensis

1 reference

Chemical Constituents from the Aerial Part of Rosa Transmorrisonensis

Salvia melissodora

1 reference

Clerodane diterpenoids from Salvia melissodora

Salvia regla

1 reference

Abietane and clerodane diterpenes from Salvia regla

Osteospermum ilicifolium

1 reference

Sesquiterpene glycosides and other constituents from osteospermum species

Prunella vulgaris

1 reference

Prunella vulgaris: A Comprehensive Review of Chemical Constituents, Pharmacological Effects and Clinical Applications

Identifiers

InChI

InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1

0 references

0 references

CAS Registry Number

1724-17-0

1 reference

https://commonchemistry.cas.org/detail?cas_rn=1724-17-0

9 April 2021

PubChem CID

92900

1 reference

matched by identifier from

matched by identifier from

1 reference

1 reference

DSSTOX compound identifier

DTXCID201366685

0 references

EC number

217-029-1

0 references

ECHA Substance Infocard ID

100.015.481

1 reference