9-Dihydro-13-acetylbaccatin III

CAS Registry Number®

142203-65-4

CAS Name

9-Dihydro-13-acetylbaccatin III

Molecular Formula

C33H42O12

Molecular Mass

630.68

Cite this Page

9-Dihydro-13-acetylbaccatin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142203-65-4 (retrieved 2024-11-24) (CAS RN: 142203-65-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1

InChIKey

InChIKey=WPPPFZJNKLMYBW-FAEUQDRCSA-N

SMILES

O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)[C@H](O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC(C)=O)C5)[H]

Canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C)C(O)C(OC(=O)C)C4=C(C)C(OC(=O)C)CC1(O)C4(C)C)C=5C=CC=CC5

Other Names for this Substance

  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, [2aR-(2aα,4β,4aβ,5α,6β,9α,11α,12α,12aα,12bα)]-
  • Di-O-deacetylbaccatin VI
  • 13-Acetyl-9-dihydrobaccatin III
  • 9-Dihydro-13-acetylbaccatin III

View All

CAS INSIGHTSTM
Hourglass and a clock