(3β,12β,24S)-12,24-Dihydroxydammar-25-ene-3,20-diyl bis[β-D-glucopyranoside]

CAS Registry Number®

114019-97-5
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CAS Name

(3β,12β,24S)-12,24-Dihydroxydammar-25-ene-3,20-diyl bis[β-D-glucopyranoside]

Molecular Formula

C42H72O14

Molecular Mass

801.01

Cite this Page

(3β,12β,24S)-12,24-Dihydroxydammar-25-ene-3,20-diyl bis[β-D-glucopyranoside].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114019-97-5 (retrieved 2024-09-19) (CAS RN: 114019-97-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-189 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3/t21-,22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1

InChIKey

InChIKey=UJUDHUMABIRGHD-RJIRWEFGSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3)[H])(C[C@@H](O)[C@]5([C@@]2(C)CC[C@@]5([C@@](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(CC[C@@H](C(C)=C)O)C)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C(OC6OC(CO)C(O)C(O)C6O)(C)CCC(O)C(=C)C)C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β,24S)-12,24-dihydroxydammar-25-ene-3,20-diyl bis-
  • (3β,12β,24S)-12,24-Dihydroxydammar-25-ene-3,20-diyl bis[β-D-glucopyranoside]
  • Majoroside F2