Calamin

CAS Registry Number®

74751-40-9

CAS Name

Calamin

Molecular Formula

C27H36O10

Molecular Mass

520.57

Cite this Page

Calamin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74751-40-9 (retrieved 2025-02-19) (CAS RN: 74751-40-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36O10/c1-23(2,33)18-17(30)19(31)26(5)14(25(18,4)15(28)11-16(29)34-6)7-9-24(3)20(13-8-10-35-12-13)36-22(32)21-27(24,26)37-21/h8,10,12,14-15,18-21,28,31,33H,7,9,11H2,1-6H3/t14-,15?,18+,19?,20+,21-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=DQSNUOLMAKKASD-QTSMKSROSA-N

SMILES

C[C@]12[C@]34[C@](O3)(C(=O)O[C@H]([C@]4(C)CC[C@@]1([C@](C(CC(OC)=O)O)(C)[C@H]([C@](C)(C)O)C(=O)C2O)[H])C=5C=COC5)[H]

Canonical SMILES

O=C(OC)CC(O)C1(C)C(C(=O)C(O)C2(C)C1CCC3(C)C(OC(=O)C4OC432)C5=COC=C5)C(O)(C)C

Other Names for this Substance

  • Naphth[2,1-c]oxireno[d]pyran-6-propanoic acid, 3-(3-furanyl)dodecahydro-β,9-dihydroxy-7-(1-hydroxy-1-methylethyl)-3a,6,9a-trimethyl-1,8-dioxo-, methyl ester, (3S,3aS,5aR,6R,7R,9aS,9bR,10aS)-
  • Obacunoic acid, 7-deoxo-1,2-dihydro-1,7-dihydroxy-6-oxo-, methyl ester
  • Naphth[2,1-c]oxireno[d]pyran-6-propanoic acid, 3-(3-furanyl)dodecahydro-β,9-dihydroxy-7-(1-hydroxy-1-methylethyl)-3a,6,9a-trimethyl-1,8-dioxo-, methyl ester, (3S,3aS,5aR,6R,7R,9aS,9bR,10aS)-[partial]-
  • Calamin

CAS INSIGHTSTM
Lithium-ion battery