(Q105110867)

English

(1'R,4'S,5R,8R,9R,10R,13R,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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(2-hydroxypropan-2-yl)-1,3'a,3'b,6',6',9'a-hexamethyl-decahydro-2'H-3,7-dioxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclopenta[a]phenanthren]-7'-one

1 reference

based on heuristic

inferred from SMILES

(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

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from 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)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(CC[C@]21C)O[C@@]1(C(C)(C)O)CC[C@]3(C)O1

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found in taxon

Cleome africana

1 reference

stated in

Cytotoxic triterpenes from Cleome africana.

Cleome amblyocarpa

1 reference

stated in

Cytotoxic triterpenes from Cleome africana.

Cleome brachycarpa

1 reference

stated in

Cleocarpone, a triterpenoid from Cleome brachycarpa

Stylidocleome brachycarpa

1 reference

stated in

Cleocarpone, a triterpenoid from Cleome brachycarpa

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-GMOVRNJBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105110867)

(1'R,4'S,5R,8R,9R,10R,13R,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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Identifiers

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