(Q105134562)

English

6-[[8a-Carboxy-12-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₃₆H₅₆O₁₁

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

664.382262612 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₆O₁₁

0 references

canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6C(O)C(C)(C)CCC6(C(=O)O)CCC54C)C2(C)CO)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C36H56O11/c1-31(2)13-15-36(30(44)45)16-14-34(5)18(22(36)27(31)41)7-8-20-32(3)11-10-21(33(4,17-37)19(32)9-12-35(20,34)6)46-29-25(40)23(38)24(39)26(47-29)28(42)43/h7,19-27,29,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)

0 references

InChIKey

JSTDGMUSVYYABL-UHFFFAOYSA-N

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PubChem CID

162851500

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JSTDGMUSVYYABL-UHFFFAOYSA-N

(Q105134562)

6-[[8a-Carboxy-12-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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Identifiers

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