(Q104920843)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(2R,4S)-4-methoxy-6-methylhept-5-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

cucurbitane triterpenoid

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mass

648.460119008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₆₄O₈

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canonical SMILES

OCC1OC(OC2CCC3C(=CC(OC)C4C3(C)CCC5(C)C(CCC45C)C(C)CC(OC)C=C(C)C)C2(C)C)C(O)C(O)C1O

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isomeric SMILES

CO[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C

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found in taxon

Momordica charantia

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stated in

Cucurbitane-type triterpenoids from the fruits of Momordica charantia and their cancer chemopreventive effects

Identifiers

InChI

InChI=1S/C38H64O8/c1-21(2)17-23(43-9)18-22(3)24-13-14-38(8)33-27(44-10)19-26-25(36(33,6)15-16-37(24,38)7)11-12-29(35(26,4)5)46-34-32(42)31(41)30(40)28(20-39)45-34/h17,19,22-25,27-34,39-42H,11-16,18,20H2,1-10H3/t22-,23-,24-,25-,27+,28-,29+,30-,31+,32-,33-,34+,36+,37-,38+/m1/s1

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InChIKey

AXVNDLMNNLLGAJ-MZDADNFFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXVNDLMNNLLGAJ-MZDADNFFSA-N

1 reference

(Q104920843)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(2R,4S)-4-methoxy-6-methylhept-5-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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