(Q105159321)

English

(5R,7R,8R,9R,10R,13S,17S)-7-hydroxy-17-[(2S,3S,5R)-2-hydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-Hydroxy-17-[2-hydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C1CCC2(C)C3CCC4(C(=CCC4C5CC(OC5O)C=C(C)C)C3(C)C(O)CC2C1(C)C)C

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isomeric SMILES

CC(C)=C[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@@H](O)O1

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found in taxon

Luvunga sarmentosa

1 reference

stated in

Apotirucallane and Tirucallane triterpenoids from Luvunga sarmentosa

Identifiers

InChI

InChI=1S/C30H46O4/c1-17(2)14-18-15-19(26(33)34-18)20-8-9-21-28(20,5)12-10-22-29(6)13-11-24(31)27(3,4)23(29)16-25(32)30(21,22)7/h9,14,18-20,22-23,25-26,32-33H,8,10-13,15-16H2,1-7H3/t18-,19-,20-,22+,23-,25+,26-,28-,29+,30-/m0/s1

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InChIKey

LYHFQGGNISJWOG-BILFCVDBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LYHFQGGNISJWOG-BILFCVDBSA-N

1 reference

(Q105159321)

(5R,7R,8R,9R,10R,13S,17S)-7-hydroxy-17-[(2S,3S,5R)-2-hydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one

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