(Q103817871)

English

2,4,5-trihydroxyoxan-3-yl 2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate

group of stereoisomers with the chemical formula C₃₇H₅₈O₈

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Statements

instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

630.413168816 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₅₈O₈

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canonical SMILES

O=C(OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CCC(C(C(=O)OC5C(O)OCC(O)C5O)CCC=C(C)C)C4(C)CC3)C)C

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Identifiers

InChI

InChI=1S/C37H58O8/c1-21(2)10-9-11-23(32(41)45-31-30(40)27(39)20-43-33(31)42)24-14-18-37(8)26-12-13-28-34(4,5)29(44-22(3)38)16-17-35(28,6)25(26)15-19-36(24,37)7/h10,23-24,27-31,33,39-40,42H,9,11-20H2,1-8H3

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InChIKey

CMOURCLAHTYFHZ-UHFFFAOYSA-N

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PubChem CID

163065200

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CMOURCLAHTYFHZ-UHFFFAOYSA-N

(Q103817871)

2,4,5-trihydroxyoxan-3-yl 2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate

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