(Q105183046)

English

2-[5-hydroperoxy-6-methyl-2-(3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-6-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₆H₆₂O₁₁

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instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

670.429212804 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₆₂O₁₁

0 references

canonical SMILES

OOC(C(=C)C)CCC(OC1OC(CO)C(O)C(O)C1O)(C)C2CCC3(C)C2C(O)CC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C

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Identifiers

InChI

InChI=1S/C36H62O11/c1-18(2)22(47-44)10-14-36(8,46-31-29(43)28(42)27(41)23(17-37)45-31)19-9-13-34(6)26(19)20(38)15-24-33(5)12-11-25(40)32(3,4)30(33)21(39)16-35(24,34)7/h19-31,37-44H,1,9-17H2,2-8H3

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InChIKey

NPJGFPSXGDTZJP-UHFFFAOYSA-N

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PubChem CID

75058632

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NPJGFPSXGDTZJP-UHFFFAOYSA-N

(Q105183046)

2-[5-hydroperoxy-6-methyl-2-(3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-6-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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