(Q105110868)

English

(1'R,4'S,8R,10R,14R,17R)-1'-(2-hydroxypropan-2-yl)-4,4,4',8,10,14-hexamethylspiro[2,5,6,7,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,3'-2,7-dioxabicyclo[2.2.1]heptane]-3-one

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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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

472.35526001599993 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C5(OC6(OC5(C)CC6)C(O)(C)C)CCC43C)C1(C)C

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isomeric SMILES

CC1(C)C(=O)CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(CC[C@]21C)O[C@@]1(C(C)(C)O)CC[C@]3(C)O1

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Identifiers

InChI

InChI=1S/C30H48O4/c1-23(2)19-11-14-26(6)20(25(19,5)13-12-22(23)31)9-10-21-27(26,7)15-17-29(21)28(8)16-18-30(33-28,34-29)24(3,4)32/h19-21,32H,9-18H2,1-8H3/t19?,20?,21?,25-,26+,27+,28-,29+,30+/m0/s1

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InChIKey

IBZXYCCFRDUMQQ-JDACTNKKSA-N

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PubChem CID

162980036

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IBZXYCCFRDUMQQ-JDACTNKKSA-N

(Q105110868)

(1'R,4'S,8R,10R,14R,17R)-1'-(2-hydroxypropan-2-yl)-4,4,4',8,10,14-hexamethylspiro[2,5,6,7,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,3'-2,7-dioxabicyclo[2.2.1]heptane]-3-one

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