Satratoxin H

CAS Registry Number®

53126-64-0
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CAS Name

Satratoxin H

Molecular Formula

C29H36O9

Molecular Mass

528.59

Cite this Page

Satratoxin H.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53126-64-0 (retrieved 2024-04-19) (CAS RN: 53126-64-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13-/t18-,20+,21+,22+,25+,26?,27+,28+,29-/m0/s1

InChIKey

InChIKey=MUACSCLQRGEGOE-DLQNMIPUSA-N

SMILES

CC12[C@@]3([C@@]4(O[C@]5([C@@]1(CCC(C)=C5)COC(=O)/C=C/6\[C@@H](O)[C@]([C@H](C)O)(/C=C/C=C\C(=O)O[C@@]2(C4)[H])OCC6)[H])[H])CO3

Canonical SMILES

O=C1OCC23CCC(=CC3OC4CC(OC(=O)C=CC=CC5(OCCC(=C1)C5O)C(O)C)C2(C)C64OC6)C

Other Names for this Substance

  • Spiro[5,9:16,18-dimethano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2′-oxirane]-3,14(9H)-dione, 6,7,16,16a,19a,22-hexahydro-25-hydroxy-9-[(1S)-1-hydroxyethyl]-16a,21-dimethyl-, (2′S,4E,9R,10E,12Z,16R,16aS,18R,19aR,23aR,25R)-
  • Satratoxin H
  • (2′S,4E,9R,10E,12Z,16R,16aS,18R,19aR,23aR,25R)-6,7,16,16a,19a,22-Hexahydro-25-hydroxy-9-[(1S)-1-hydroxyethyl]-16a,21-dimethylspiro[5,9:16,18-dimethano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2′-oxirane]-3,14(9H)-dione
  • Stereoisomer of 6,7,16,16a,19a,22-hexahydro-25-hydroxy-9-(1-hydroxyethyl)-16a,21-dimethylspiro[5,9:16,18-dimethano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2′-oxirane]-3,14(9H)-dione

Deleted or Replaced CAS Registry Numbers

54385-59-0, 60538-73-0

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