3H-3a,7-Methanoazulene-2,5,8-triol, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, 2,5,8-triacetate, (2S,3aR,4S,5S,7S,8S)-

CAS Registry Number®

17928-62-0

CAS Name

3H-3a,7-Methanoazulene-2,5,8-triol, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, 2,5,8-triacetate, (2S,3aR,4S,5S,7S,8S)-

Molecular Formula

C21H30O6

Molecular Mass

378.46

Cite this Page

3H-3a,7-Methanoazulene-2,5,8-triol, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, 2,5,8-triacetate, (2S,3aR,4S,5S,7S,8S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17928-62-0 (retrieved 2024-11-22) (CAS RN: 17928-62-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O6/c1-10-17(26-13(4)23)9-21-11(2)16(25-12(3)22)8-15(20(21,6)7)19(18(10)21)27-14(5)24/h11,15-17,19H,8-9H2,1-7H3/t11-,15-,16+,17+,19+,21+/m1/s1

InChIKey

InChIKey=LCYMMMXHRHJXJB-ZHOQLOPFSA-N

SMILES

C[C@@]1(C)[C@]23C([C@@H](OC(C)=O)[C@]1(C[C@H](OC(C)=O)[C@H]2C)[H])=C(C)[C@@H](OC(C)=O)C3

Canonical SMILES

O=C(OC1C(=C2C(OC(=O)C)C3CC(OC(=O)C)C(C)C2(C1)C3(C)C)C)C

Other Names for this Substance

  • 3H-3a,7-Methanoazulene-2,5,8-triol, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, 2,5,8-triacetate, (2S,3aR,4S,5S,7S,8S)-
  • 3H-3a,7-Methanoazulene-2,5,8-triol, 2α,4,5α,6,7α,8β-hexahydro-1,4α,9,9-tetramethyl-, triacetate, (+)-
  • 3H-3a,7-Methanoazulene-2,5,8-triol, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, triacetate, [2S-(2α,3aα,4β,5α,7α,8β)]-
  • 3H-3a,7-Methanoazulene-2,5,8-triol, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, triacetate, (2S,3aR,4S,5S,7S,8S)-
  • Sugetriol triacetate

CAS INSIGHTSTM
Hourglass and a clock