(Q105115026)

English

[(3S,5R,10S,13R,14R,17R)-17-[(1S)-1-[(2R,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

lanostane triterpenoid

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mass

500.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₄

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canonical SMILES

O=C(OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CCC(C(C)C5OC(C)(C)C(O)C5)C4(C)CC3)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)[C@H]2C[C@H](O)C(C)(C)O2)[C@@]1(C)CC3

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found in taxon

Inonotus obliquus

1 reference

stated in

Structure determination of inonotsuoxides A and B and in vivo anti-tumor promoting activity of inotodiol from the sclerotia of Inonotus obliquus

Identifiers

InChI

InChI=1S/C32H52O4/c1-19(24-18-26(34)29(5,6)36-24)21-12-16-32(9)23-10-11-25-28(3,4)27(35-20(2)33)14-15-30(25,7)22(23)13-17-31(21,32)8/h19,21,24-27,34H,10-18H2,1-9H3/t19-,21+,24+,25-,26-,27-,30+,31+,32-/m0/s1

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InChIKey

IKYOUWYBNIHMDY-MUKPHVGRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IKYOUWYBNIHMDY-MUKPHVGRSA-N

1 reference

(Q105115026)

[(3S,5R,10S,13R,14R,17R)-17-[(1S)-1-[(2R,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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