(Q104975145)

English

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

group of stereoisomers with the chemical formula C₄₂H₆₄O₁₅

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instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

808.4245213480004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₄O₁₅

0 references

canonical SMILES

O=C(O)C1OC(OC2C(O)C(O)C(OC2OC3CCC4(C5=CC=C6C7CC(C)(CO)C(O)CC7(C)CCC6(C)C5(C)CCC4C3(C)C)C)C(=O)O)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C42H64O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-16-39(4,18-43)23(44)17-38(20,3)14-15-41(19,42)6)40(21,5)12-11-24(37)54-36-32(28(48)27(47)31(56-36)34(52)53)57-35-29(49)25(45)26(46)30(55-35)33(50)51/h8-9,20-21,23-32,35-36,43-49H,10-18H2,1-7H3,(H,50,51)(H,52,53)

0 references

InChIKey

DCBSFXHHRWZSNC-UHFFFAOYSA-N

0 references

PubChem CID

163008310

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DCBSFXHHRWZSNC-UHFFFAOYSA-N

(Q104975145)

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

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Identifiers

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