(Q110177816)

English

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methoxy]oxan-3-yl]acetamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

605.429153228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₉NO₇

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canonical SMILES

CC(=O)NC1C(OCC23CCC(O)C=C2CCC2C3CCC3(C)C(C(C)CCCC(C)C)CCC23)OC(CO)C(O)C1O

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isomeric SMILES

CC(=O)N[C@H]1[C@H](OC[C@]23CC[C@H](O)C=C2CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)O[C@H](CO)[C@@H](O)[C@@H]1O

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found in taxon

Peyssonnelia

1 reference

stated in

Structure and biological evaluation of novel cytotoxic sterol glycosides from the marine red alga Peyssonnelia sp.

Identifiers

InChI

InChI=1S/C35H59NO7/c1-20(2)7-6-8-21(3)26-11-12-27-25-10-9-23-17-24(39)13-16-35(23,28(25)14-15-34(26,27)5)19-42-33-30(36-22(4)38)32(41)31(40)29(18-37)43-33/h17,20-21,24-33,37,39-41H,6-16,18-19H2,1-5H3,(H,36,38)/t21-,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-/m1/s1

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InChIKey

NLQPIKCKRZEVKY-PEPCZXFMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NLQPIKCKRZEVKY-PEPCZXFMSA-N

1 reference

(Q110177816)

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methoxy]oxan-3-yl]acetamide

Statements

Identifiers

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