(Q105278836)

English

(3R,5S,8R,9R,10R,13S,14R,17R)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

chemical compound

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instance of

type of chemical entity

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subclass of

17-[5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

1 reference

based on heuristic

inferred from SMILES

mass

476.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(24R)-20,24-Epoxydammarane-3alpha,17,25-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5S,8R,9R,10R,13S,14R,17R)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₄

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C(O)(CCC43C)C5(OC(CC5)C(O)(C)C)C)C1(C)C

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isomeric SMILES

CC(C)(O)[C@@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)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.

Identifiers

InChI

InChI=1S/C30H52O4/c1-24(2)19-11-15-27(6)20(26(19,5)14-12-22(24)31)9-10-21-28(27,7)17-18-30(21,33)29(8)16-13-23(34-29)25(3,4)32/h19-23,31-33H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,26+,27-,28-,29+,30-/m1/s1

0 references

InChIKey

UTJGQZHPXQZMFT-IVAMEFHPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105278836)

(3R,5S,8R,9R,10R,13S,14R,17R)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

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Identifiers

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