(Q105174462)

English

(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-3H-picene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

586.386954068 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3beta-(alpha-L-Arabinopyranosyloxy)urs-12,19(20)-diene-28-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₄O₇

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canonical SMILES

O=C(O)C12CCC(=C(C)C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1)C

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isomeric SMILES

CC1=C(C)[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1

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found in taxon

Sanguisorba officinalis

1 reference

stated in

Triterpenoids from Sanguisorba officinalis

Identifiers

InChI

InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,22-29,36-38H,9-18H2,1-7H3,(H,39,40)/t22-,23+,24-,25-,26-,27-,28+,29-,32-,33+,34+,35-/m0/s1

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InChIKey

MXPIENYJLBJTAC-ILEWMWFLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MXPIENYJLBJTAC-ILEWMWFLSA-N

(Q105174462)

(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid

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Identifiers

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