(Q104945110)

English

methyl (1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2,3-dihydroxyurs-12-en-28-oate

1 reference

based on heuristic

inferred from SMILES

mass

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-Epicorosolic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,2R,4aR,6aS,6aR,6bR,8aR,10S,11R,12aR,14bR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

1 reference

1 reference

C₃₁H₅₀O₄

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canonical SMILES

O=C(OC)C12CCC(C)C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

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found in taxon

Eriobotrya japonica

1 reference

stated in

11beta-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches

Cunila lythrifolia

1 reference

stated in

Triterpenoid acids from Cunila lythrifolia

Eucalyptus perriniana

1 reference

stated in

Triterpenoids from Eucalyptus perriniana cultured cells

Isodon japonicus

1 reference

stated in

Stereochemistry at C-11 and C-12 in the biosynthesis of olean-12-ene, urs-12-ene, and β-sitosterol from [5-13C,5-2H2]mevalonolactone in tissue cultures of Isodon japonicus Hara

Melissa officinalis

1 reference

stated in

Further triterpenes from Melissa officinalis L (author's transl)

Polylepis australis

1 reference

stated in

Oleanolic and ursolic acid derivatives from Polylepis australis

Rosa laevigata

1 reference

stated in

Steroids and triterpenoids from Rosa laevigata

Rosa transmorrisonensis

1 reference

stated in

Chemical Constituents from the Aerial Part of Rosa Transmorrisonensis

Rhaphiolepis loquata

1 reference

stated in

11beta-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches

Identifiers

InChI

InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1

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InChIKey

BRZWXKGDPAZBLF-OKUTUCSLSA-N

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CAS Registry Number

4518-70-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104945110)

methyl (1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Statements

Identifiers

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